Information card for entry 4024742

Structure parameters

• Formula: C34 H34 N8 O2
• Calculated formula: C34 H34 N8 O2
• SMILES: c1cccc2c1CN=C1N(C2)C(=O)C2=C[C@@H](CN(CC=C)N12)[C@]12C=CCN(CC=C)N2C2=NCc3c(CN2C1=O)cccc3.c1cccc2c1CN=C1N(C2)C(=O)C2=C[C@H](CN(CC=C)N12)[C@@]12C=CCN(CC=C)N2C2=NCc3c(CN2C1=O)cccc3
• Title of publication: Exploring Symmetry-Based Logic for a Synthesis of Palau'amine
• Authors of publication: Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5909 - 5919
• a: 10.597 ± 0.0004 Å
• b: 11.468 ± 0.0005 Å
• c: 13.469 ± 0.0007 Å
• α: 101.774 ± 0.0018°
• β: 101.791 ± 0.0016°
• γ: 97.419 ± 0.0019°
• Cell volume: 1543.47 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No